| Properties | Image |
|---|
| MNX_ID | MNXM29606 |
 |
| reference | lipidmapsM:LMPK12010213 |
| formula | C36H37O19 |
| global charge | 1 |
| mol weight | 773.673 |
| InChIKey | CNLSZKFMPHWNAM-GBRVJCKXSA-O |
| InChI | InChI=1S/C36H36O19/c37-12-25-28(45)30(47)32(49)35(53-25)55-34-31(48)29(46)26(13-50-27(44)6-2-14-1-4-18(39)21(42)7-14)54-36(34)52-24-11-17-20(41)9-16(38)10-23(17)51-33(24)15-3-5-19(40)22(43)8-15/h1-11,25-26,28-32,34-37,45-49H,12-13H2,(H5-,38,39,40,41,42,43,44)/p+1/t25-,26-,28-,29-,30+,31+,32-,34-,35+,36-/m1/s1 |
| SMILES | O=C(/C=C/C1=CC=C(O)C(O)=C1)OC[C@H]1O[C@@H](OC2=C(C3=CC=C(O)C(O)=C3)[O+]=C3C=C(O)C=C(O)C3=C2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C36H36O19/c37-12-25-28(45)30(47)32(49)35(53-25)55-34-31(48)29(46)26(13-50-27(44)6-2-14-1-4-18(39)21(42)7-14)54-36(34)52-24-11-17-20(41)9-16(38)10-23(17)51-33(24)15-3-5-19(40)22(43)8-15/h1-11,25-26,28-32,34-37,45-49H,12-13H2,(H5-,38,39,40,41,42,43,44)/b6-2?/t25-,26-,28-,29-,30+,31+,32-,34-,35+,36-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:4][C:18]([OH:39])=[C:21]([OH:42])[CH:7]=[C:14]1[CH:2]=[CH:6][C:27]([O-:44])=[O+:50][CH2:13][C@@H:26]1[C@@H:29]([OH:46])[C@H:31]([OH:48])[C@@H:34]([O:55][C@H:35]2[C@H:32]([OH:49])[C@@H:30]([OH:47])[C@H:28]([OH:45])[C@@H:25]([CH2:12][OH:37])[O:53]2)[C@H:36]([O:52][C:24]2=[C:33]([C:15]3=[CH:8][C:22]([OH:43])=[C:19]([OH:40])[CH:5]=[CH:3]3)[O:51][C:23]3=[CH:10][C:16]([OH:38])=[CH:9][C:20](=[O:41])[C:17]3=[CH:11]2)[O:54]1 |
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